SCHEMBL5539082

SCHEMBL5539082

O=[C]NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.45
MLYCD O95822 1/20 0.44
TACR1 P25103 7/20 0.43
IDO1 P14902 2/20 0.42
P2RX1 P51575 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
RHOC P08134 2/20 0.40
RHOA P61586 2/20 0.40
DAO P14920 2/20 0.38
CES2 O00748 1/20 0.38
MPO P05164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3304999 0.82 MLYCD (0.51) MLYCDIDO1
SCHEMBL5151067 0.80 IDO1 (0.42) MTORMLYCDTACR1IDO1P2RX1
SCHEMBL3310758 0.80 ALDH1A1 (0.46) MTORIDO1
SCHEMBL5084706 0.76 TACR1 (0.59) MTORMLYCDTACR1IDO1P2RX1
SCHEMBL5540436 0.72 IDO1 (0.47) MTORMLYCDTACR1IDO1P2RX1
SCHEMBL681508 0.72 IDO1 (0.47) MTORMLYCDTACR1IDO1P2RX1
SCHEMBL3301378 0.72 IDO1 (0.37) IDO1DAOCES2
SCHEMBL16950110 0.72 TACR1 (0.49) MTORMLYCDTACR1IDO1P2RX1
SCHEMBL2025172 0.72 IDO1 (0.52) MTORMLYCDTACR1IDO1P2RX1
SCHEMBL14451848 0.72 IDO1 (0.47) MTORMLYCDTACR1IDO1P2RX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MTOR 2921/4885MLYCD 1955/4885TACR1 1465/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.